Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.60 |
| ▸ | RAB9A | P51151 | 3/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.55 |
| ▸ | NPC1 | O15118 | 2/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | MAOA | P21397 | 5/20 | 0.49 |
| ▸ | MAOB | P27338 | 5/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | SRC | P12931 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL2559020 | 0.89 | ALDH1A1 (0.57) | ALDH1A1RAB9ASMN1; SMN2NPC1MAOA | |
| SCHEMBL29957242 | 0.87 | TSHR (0.56) | ALDH1A1RAB9ANPC1MAOAMAOB | |
| SCHEMBL29953413 | 0.86 | ALDH1A1 (0.48) | ALDH1A1RAB9ASMN1; SMN2NPC1HPGD | |
| SCHEMBL15329632 | 0.85 | ALDH1A1 (0.58) | ALDH1A1RAB9ASMN1; SMN2NPC1MAOA | |
| SCHEMBL2560052 | 0.85 | MAOA (0.46) | ALDH1A1RAB9ANPC1MAOAMAOB | |
| SCHEMBL29954369 | 0.85 | MAOA (0.46) | ALDH1A1RAB9ASMN1; SMN2NPC1MAOA | |
| SCHEMBL6541246 | 0.85 | ALDH1A1 (0.60) | ALDH1A1RAB9ASMN1; SMN2NPC1HPGD | |
| SCHEMBL2654732 | 0.84 | MAOA (0.51) | ALDH1A1HPGDMAOAMAOBSRC | |
| SCHEMBL2560146 | 0.84 | HPGD (0.61) | ALDH1A1RAB9ANPC1HPGDTDP1 | |
| SCHEMBL2556267 | 0.83 | SMN1; SMN2 (0.61) | ALDH1A1RAB9ASMN1; SMN2NPC1HPGD |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |